CID 136017913

2-(6-hydroxy-1,2-benzisoxazol-3-yl)acetic acid

Structural Information

Molecular Formula
C9H7NO4
SMILES
C1=CC2=C(C=C1O)ON=C2CC(=O)O
InChI
InChI=1S/C9H7NO4/c11-5-1-2-6-7(4-9(12)13)10-14-8(6)3-5/h1-3,11H,4H2,(H,12,13)
InChIKey
HTSUQRPUOQFRMZ-UHFFFAOYSA-N
Compound name
2-(6-hydroxy-1,2-benzoxazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

193.0375 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 135.3
[M+Na]+ 216.02672 145.9
[M-H]- 192.03022 137.7
[M+NH4]+ 211.07132 153.9
[M+K]+ 232.00066 144.3
[M+H-H2O]+ 176.03476 129.8
[M+HCOO]- 238.03570 156.7
[M+CH3COO]- 252.05135 176.6
[M+Na-2H]- 214.01217 142.5
[M]+ 193.03695 138.8
[M]- 193.03805 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe